4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane

C64H69F12N19O5S4 — CID 161378381

IUPAC4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane
SMILESC.C.C.C.CC(N)c1ccc(S(N)(=O)=O)cc1.CC(Nc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1)c1ccc(S(N)(=O)=O)cc1.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C22H19F4N7O2S.C15H11F4N5OS.C15H11F4N5S.C8H12N2O2S.4CH4/c1-12(13-4-8-16(9-5-13)36(27,34)35)30-21-32-19-18(20(33-21)29-11-22(24,25)26)31-17(10-28-19)14-2-6-15(23)7-3-14;1-26(25)14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-6(9)7-2-4-8(5-3-7)13(10,11)12;;;;/h2-10,12H,11H2,1H3,(H2,27,34,35)(H2,28,29,30,32,33);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,9H2,1H3,(H2,10,11,12);4*1H4
InChIKeyVRJOBHGAGGXKMW-UHFFFAOYSA-N
MW1540.63 g/mol
LogP13.78
Rot. Bonds17

About 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane

4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane (PubChem CID 161378381) has the molecular formula C64H69F12N19O5S4 and a molecular weight of 1540.63 g/mol. Its IUPAC name is 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane.

Molecular Properties

Compound Name4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane
PubChem CID161378381
Molecular FormulaC64H69F12N19O5S4
Molecular Weight1540.63 g/mol
Exact Mass1539.44
IUPAC Name4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane
SMILESC.C.C.C.CC(N)c1ccc(S(N)(=O)=O)cc1.CC(Nc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1)c1ccc(S(N)(=O)=O)cc1.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C22H19F4N7O2S.C15H11F4N5OS.C15H11F4N5S.C8H12N2O2S.4CH4/c1-12(13-4-8-16(9-5-13)36(27,34)35)30-21-32-19-18(20(33-21)29-11-22(24,25)26)31-17(10-28-19)14-2-6-15(23)7-3-14;1-26(25)14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-6(9)7-2-4-8(5-3-7)13(10,11)12;;;;/h2-10,12H,11H2,1H3,(H2,27,34,35)(H2,28,29,30,32,33);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,9H2,1H3,(H2,10,11,12);4*1H4
InChIKeyVRJOBHGAGGXKMW-UHFFFAOYSA-N
XLogP13.78
TPSA366.21 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.63
LogP ≤ 513.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane with MolForge

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Related Compounds

4-[[[6-(6-Fluoro-3-pyridyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773659
4-[[[6-(2-Amino-4-pyridyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 24957810
4-[[[6-(2-Aminopyrimidin-5-yl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 24958187
4-[[[6-[4-Fluoro-3-(4-isopropylpiperazin-1-yl)sulfonyl-phenyl]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 24959286
4-[[[4-(2,2,2-Trifluoroethylamino)-6-[2-(trifluoromethyl)-4-pyridyl]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773634
4-[[[6-(5-Aminopyrazin-2-yl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773655
2-fluoro-N-(4-piperidyl)-5-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]benzenesulfonamide
CID 49773687
4-{[6-(4-Fluoro-phenyl)-4-(2,2,2-trifluoro-ethylamino)-pteridin-2-ylamino]-methyl}-benzenesulfonamide
CID 58016705
4-{1-[6-(4-Fluoro-phenyl)-4-(2,2,2-trifluoro-ethylamino)-pteridin-2-ylamino]-ethyl}-benzenesulfonamide
CID 58016707
4-[[[6-(6-Fluoro-3-pyridyl)-4-[methyl(2,2,2-trifluoroethyl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 71592842
4-[(1R)-1-[[6-(6-fluoropyridin-3-yl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 45108095
4-[(1R)-1-[[6-(5-methylsulfonylpyridin-3-yl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 58275404

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane?
The IUPAC name of 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane (CID 161378381) is 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane.
What is the SMILES notation for 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane?
The canonical SMILES for 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane is C.C.C.C.CC(N)c1ccc(S(N)(=O)=O)cc1.CC(Nc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1)c1ccc(S(N)(=O)=O)cc1.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1.
What is the InChIKey of 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane?
The InChIKey is VRJOBHGAGGXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N7O2S.C15H11F4N5OS.C15H11F4N5S.C8H12N2O2S.4CH4/c1-12(13-4-8-16(9-5-13)36(27,34)35)30-21-32-19-18(20(33-21)29-11-22(24,25)26)31-17(10-28-19)14-2-6-15(23)7-3-14;1-26(25)14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8;1-6(9)7-2-4-8(5-3-7)13(10,11)12;;;;/h2-10,12H,11H2,1H3,(H2,27,34,35)(H2,28,29,30,32,33);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,7H2,1H3,(H,20,21,23,24);2-6H,9H2,1H3,(H2,10,11,12);4*1H4.
What are the key properties of 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane?
4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane has a molecular weight of 1540.63 g/mol, XLogP of 13.78, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane is sourced from PubChem (CID 161378381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).